General Information of the Compound
| Compound ID |
CP0115744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]propyl]-1,2-benzoxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O
|
||||||||||||||||||
| Molecular Weight |
388.515
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN2[C@H]3CCN(CCCc4noc5ccccc45)C[C@H]3c3cccc1c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O/c1-26-14-15-28-21-11-13-27(16-19(21)17-7-4-9-22(26)24(17)28)12-5-8-20-18-6-2-3-10-23(18)29-25-20/h2-4,6-7,9-10,19,21H,5,8,11-16H2,1H3/t19-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FINYFOYZAZLCFE-FPOVZHCZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00957, D(2) dopamine receptor